[ViewVC] Log of: group/trunk/OOPSE/libmdtools/mpiSimulation.cpp

Revision 1217 - (view) (annotate) - [select for diffs]
Modified Tue Jun 1 21:45:22 2004 UTC (20 years, 1 month ago) by gezelter
File length: 12444 byte(s)
Diff to previous 1214

Bug fix (fixes of skipList and neighbor list under MPI)

Revision 1214 - (view) (annotate) - [select for diffs]
Modified Tue Jun 1 18:42:58 2004 UTC (20 years, 1 month ago) by gezelter
File length: 12287 byte(s)
Diff to previous 1203

Cutoff Groups for MPI

Revision 1203 - (view) (annotate) - [select for diffs]
Modified Thu May 27 18:59:17 2004 UTC (20 years, 1 month ago) by gezelter
File length: 11925 byte(s)
Diff to previous 1198

Cutoff group changes under MPI

Revision 1198 - (view) (annotate) - [select for diffs]
Modified Thu May 27 00:48:12 2004 UTC (20 years, 1 month ago) by tim
File length: 8818 byte(s)
Diff to previous 1129

in the progress of fixing MPI version of cutoff group

Revision 1129 - (view) (annotate) - [select for diffs]
Modified Thu Apr 22 03:29:30 2004 UTC (20 years, 2 months ago) by tim
File length: 8789 byte(s)
Diff to previous 1108

fixed two bugs in MPI version of InitfromFile and one unmatch MPI command in DumpWriter

Revision 1108 - (view) (annotate) - [select for diffs]
Modified Wed Apr 14 15:37:41 2004 UTC (20 years, 2 months ago) by tim
File length: 8687 byte(s)
Diff to previous 989

Change DumpWriter and InitFromFile

Revision 989 - (view) (annotate) - [select for diffs]
Modified Tue Jan 27 19:38:27 2004 UTC (20 years, 5 months ago) by gezelter
File length: 8334 byte(s)
Diff to previous 958

More BASS changes to do new rigidBody scheme
a copy of WATER.cpp from this morning

Revision 958 - (view) (annotate) - [select for diffs]
Modified Mon Jan 19 16:09:52 2004 UTC (20 years, 5 months ago) by gezelter
File length: 8336 byte(s)
Diff to previous 829

BASS changes to add RigidBodies required a change in
how the MoleculeStamps are used by divideLabor in mpiSimulation.cpp

Revision 829 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:03:37 2003 UTC (20 years, 8 months ago) by gezelter
File length: 8334 byte(s)
Diff to previous 787

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.

Revision 787 - (view) (annotate) - [select for diffs]
Modified Thu Sep 25 19:27:15 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 8331 byte(s)
Diff to previous 726

cleaned things with gcc -Wall and g++ -Wall

Revision 726 - (view) (annotate) - [select for diffs]
Modified Tue Aug 26 20:37:30 2003 UTC (20 years, 10 months ago) by tim
File length: 8426 byte(s)
Diff to previous 708

set default force substraction policy to PolicyByMass

Revision 708 - (view) (annotate) - [select for diffs]
Modified Wed Aug 20 22:23:34 2003 UTC (20 years, 10 months ago) by tim
File length: 8455 byte(s)
Diff to previous 447

user can setup seed in bass file now, if he does not specify any value for
seed, oopse will take the value of seconds of system time as seed

Revision 447 - (view) (annotate) - [select for diffs]
Modified Thu Apr 3 20:21:54 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 8441 byte(s)
Diff to previous 441

fixed some small things with simError.h

Revision 441 - (view) (annotate) - [select for diffs]
Modified Tue Apr 1 16:50:14 2003 UTC (21 years, 3 months ago) by chuckv
File length: 8560 byte(s)
Diff to previous 434

more bug fixes....

Revision 434 - (view) (annotate) - [select for diffs]
Modified Fri Mar 28 19:30:59 2003 UTC (21 years, 3 months ago) by chuckv
File length: 8459 byte(s)
Diff to previous 432

mpi fixes and debugging mpi read write from file.

Revision 432 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 23:33:40 2003 UTC (21 years, 3 months ago) by chuckv
File length: 8714 byte(s)
Diff to previous 422

MPI buggy, fixed mpiRefresh issue.

Revision 422 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 19:21:42 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 8607 byte(s)
Diff to previous 419

finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class

Revision 419 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 15:07:29 2003 UTC (21 years, 3 months ago) by gezelter
File length: 8648 byte(s)
Diff to previous 418

fixes for local->global atom numbering in MPI

Revision 418 - (view) (annotate) - [select for diffs]
Modified Thu Mar 27 14:30:24 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 8649 byte(s)
Diff to previous 416

little bug fixes here and there.

Revision 416 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 23:14:02 2003 UTC (21 years, 3 months ago) by gezelter
File length: 8576 byte(s)
Diff to previous 406

bug fixes   many bug fixes

Revision 406 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 19:34:49 2003 UTC (21 years, 3 months ago) by chuckv
File length: 8526 byte(s)
Diff to previous 405

Finished globalIndex.

Revision 405 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 18:02:18 2003 UTC (21 years, 3 months ago) by gezelter
File length: 8503 byte(s)
Diff to previous 404

MPI stuff for passing out molecules

Revision 404 - (view) (annotate) - [select for diffs]
Modified Wed Mar 26 16:12:53 2003 UTC (21 years, 3 months ago) by chuckv
File length: 4834 byte(s)
Diff to previous 378

working on load balancing

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
File length: 4823 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/mpiSimulation.cpp revision 377
Diff to previous 377

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

Revision 377 - (view) (annotate) - [select for diffs]
Added Fri Mar 21 17:42:12 2003 UTC (21 years, 3 months ago) by mmeineke
Original Path: branches/mmeineke/OOPSE/libmdtools/mpiSimulation.cpp
File length: 4823 byte(s)

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